zeinoxanthin

Chemical Formula:

C₄₀H₅₆O

Molecular Weight:

552.882 Daltons

Monoisotopic Mass:

552.4331164197 Daltons

SMILES:

CC(C=CC=C(C)C=CC1(C(C)(C)CCC=C(C)1))=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)CC(O)CC(C)=2)

InChI:

1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1

InChIKey:

NBZANZVJRKXVBH-NHWXEJKLSA-N

Synonyms

β,ε-carotene-3-ol
(3R,6'R)-β,ε-caroten-3-ol
3-hydroxy-α-carotene

Databases

MetaCyc: CPD-5661

PubChem (CID): 5281234

ChEBI: 65244

ChemSpider: 8487368

KEGG: C08590

Seed: cpd05497

MetaNetX: MNXM97172